3-(5-fluoro-2-pyridinyl)-4-methylaniline

C12H11FN2 — CID 169175841

IUPAC3-(5-fluoro-2-pyridinyl)-4-methylaniline
SMILESCc1ccc(N)cc1-c1ccc(F)cn1
InChIInChI=1S/C12H11FN2/c1-8-2-4-10(14)6-11(8)12-5-3-9(13)7-15-12/h2-7H,14H2,1H3
InChIKeyNTXJQNURVNQYNV-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.78
Rot. Bonds1

About 3-(5-fluoro-2-pyridinyl)-4-methylaniline

3-(5-fluoro-2-pyridinyl)-4-methylaniline (PubChem CID 169175841) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-4-methylaniline.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-4-methylaniline
PubChem CID169175841
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name3-(5-fluoro-2-pyridinyl)-4-methylaniline
SMILESCc1ccc(N)cc1-c1ccc(F)cn1
InChIInChI=1S/C12H11FN2/c1-8-2-4-10(14)6-11(8)12-5-3-9(13)7-15-12/h2-7H,14H2,1H3
InChIKeyNTXJQNURVNQYNV-UHFFFAOYSA-N
XLogP2.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde
CID 165490029
5-(5-amino-2-methylphenyl)-1H-pyrazin-2-one
CID 165444919
5-fluoro-2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)pyridine
CID 145066225
6-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
CID 53222880
6-(5-fluoro-2-pyridinyl)-5-methylpyridazin-3-amine
CID 112586154
4-methyl-3-(2-methylpyrimidin-5-yl)aniline
CID 170431309
5-fluoro-2-methylpyridine;6-methylpyridin-3-amine
CID 158536095
2-(2,4-difluorophenyl)-5-fluoropyridine
CID 130334925
4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline
CID 63334858
3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline
CID 169024574
2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine
CID 113435871
5-fluoro-2-(2-methoxy-3-methylphenyl)pyridine
CID 170278839

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-4-methylaniline?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-4-methylaniline (CID 169175841) is 3-(5-fluoro-2-pyridinyl)-4-methylaniline.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-4-methylaniline?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-4-methylaniline is Cc1ccc(N)cc1-c1ccc(F)cn1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-4-methylaniline?
The InChIKey is NTXJQNURVNQYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c1-8-2-4-10(14)6-11(8)12-5-3-9(13)7-15-12/h2-7H,14H2,1H3.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-4-methylaniline?
3-(5-fluoro-2-pyridinyl)-4-methylaniline has a molecular weight of 202.23 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-4-methylaniline is sourced from PubChem (CID 169175841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).